REMARK  Name = BDB037099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.944   1.405  -2.229  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.321   1.187  -1.678  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.425   0.485  -0.948  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.131   2.127  -3.196  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.979  -0.184  -0.471  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1       -2.093   0.702  -1.565  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -3.367   0.968  -2.099  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -4.511   0.375  -1.565  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.410  -0.500  -0.480  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1       -3.141  -0.772   0.059  0.00  0.00    +0.051 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -0.582  -1.392   1.065  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -0.724  -0.425   0.029  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  C   LIG    1       -5.651  -1.138   0.101  0.00  0.00    +0.178 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.482  -0.164   0.795  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -7.613   0.292   0.217  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -8.114   1.135   1.123  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.322   1.206   2.284  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.276   0.346   2.047  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  S   LIG    1        1.729   1.798  -2.309  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.008   1.168  -3.581  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.706   3.238  -2.153  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.954   1.182  -1.172  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        3.047  -0.182  -0.888  0.00  0.00    +0.149 A 
ATOM     24  C   LIG    1        4.003  -0.650   0.022  0.00  0.00    +0.075 A 
ATOM     25  C   LIG    1        4.894   0.248   0.627  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        4.806   1.616   0.324  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        3.838   2.083  -0.570  0.00  0.00    +0.034 A 
BRANCH  25  28
ATOM     28  N   LIG    1        5.882  -0.201   1.549  0.00  0.00    -0.240 N 
ATOM     29  N   LIG    1        6.726   0.679   2.149  0.00  0.00    -0.175 NA
ATOM     30  C   LIG    1        7.503  -0.070   2.931  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1        7.182  -1.431   2.858  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.139  -1.492   1.965  0.00  0.00    +0.114 A 
ENDBRANCH  25  28
BRANCH  23  33
ATOM     33  O   LIG    1        2.148  -1.073  -1.411  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        2.753  -1.852  -2.449  0.00  0.00    +0.277 C 
ENDBRANCH  23  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8